NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1X M 4.5510 8.3049 120.3542 55.5006 32.4638 174.8624 1 E 4.4451 8.5534 126.4610 54.1757 31.7956 173.8756 2 Q 5.0316 9.3980 124.3169 54.9151 31.0507 174.6095 3 L 5.1156 8.2314 120.7589 53.2510 45.2075 176.4972 4 T 4.5131 9.0309 111.3248 60.2345 70.8039 175.7507 5 K 3.5568 8.9086 123.2497 60.3510 32.1061 179.5029 6 C 4.3412 8.2222 115.7819 60.0449 37.6157 175.9082 7 E 3.9059 7.7298 119.8961 59.4479 29.0383 179.5850 8 V 3.5225 7.6438 118.2795 65.6921 31.2327 177.7724 9 F 3.7248 8.0605 119.9289 61.2088 39.4612 177.1458 10 R 4.1129 7.9385 117.2672 59.0830 29.8260 178.3515 11 E 3.9632 8.3090 117.9569 59.7609 29.7868 179.1236 12 L 4.2186 7.7791 116.2702 54.7870 41.1027 178.4565 13 K 3.7258 8.0217 123.7395 59.8564 32.0812 178.1994 14 D 4.4852 7.9000 115.8472 55.8388 41.0106 176.6970 15 L 4.1790 7.9924 119.7613 55.2368 42.3736 175.9755 16 K 4.0270 7.3513 117.4790 60.0309 32.3018 175.9913 17 G 3.9995 9.2539 113.5127 45.3726 0.0000 171.7188 18 Y 4.0598 7.7961 120.8308 59.5797 38.5545 176.0575 19 G 3.6662 8.2268 115.5966 45.2059 0.0000 173.1307 20 G 4.0394 8.5555 109.4717 45.0732 0.0000 175.0516 21 V 3.7991 7.4106 120.0384 61.3963 32.0652 176.4678 22 S 4.8874 8.7338 119.5495 57.3226 65.9360 175.2214 23 L 3.9700 8.2707 120.4285 57.5784 41.4429 177.8822 24 P 4.4319 0.0000 0.0000 65.3005 31.2414 178.6205 25 E 3.8537 7.7754 116.9352 59.1590 29.3874 179.3243 26 W 4.1860 7.8126 119.0677 59.6724 29.1524 178.8374 27 V 3.7109 8.0554 118.5259 65.8449 30.9748 177.4438 28 C 2.4500 7.5873 117.7752 59.1457 37.5030 175.3057 29 T 3.7819 7.8600 118.0322 67.1690 68.0270 176.6469 30 T 3.9630 8.0102 111.0774 64.2825 68.7485 176.4863 31 F 3.3839 7.5790 122.4414 61.4602 39.2443 176.9419 32 H 3.9943 7.5790 113.3661 58.3746 28.4277 177.8572 33 T 4.1837 7.3585 117.1171 65.8911 69.0914 175.7560 34 S 4.4714 8.2905 112.9318 56.9544 64.6678 175.6239 35 G 3.3154 7.7170 108.7119 45.7131 0.0000 173.7641 36 Y 3.8456 7.7576 115.3621 57.9879 36.1954 168.3928 37 D 4.9653 7.6546 120.4895 53.5632 40.8672 176.7868 38 T 4.1532 8.8835 118.4056 63.2553 69.5581 175.4477 39 Q 4.6500 8.8605 120.6562 55.5329 30.2478 175.4833 40 A 4.1230 8.1119 122.7434 52.6725 19.3963 177.4500 41 I 4.8183 8.3091 122.5698 59.3767 40.6571 175.2873 42 V 4.2081 8.5364 126.1739 61.4062 34.6032 174.1682 43 Q 4.7329 8.7971 128.3306 55.0065 28.9256 174.9232 44 N 4.6761 8.7377 121.4104 53.8082 39.1587 174.8330 45 N 4.7242 8.1095 112.8389 52.4468 40.6490 173.4699 46 D 5.0242 8.8546 113.1182 52.6408 41.2503 176.1926 47 S 5.0568 7.7490 113.0284 57.4902 67.0303 172.5396 48 T 4.9999 9.4475 117.7192 61.9231 71.8597 172.8109 49 E 5.2951 9.3363 125.0929 54.9378 32.3624 174.4394 50 Y 5.0371 9.3764 122.2002 57.2846 40.9508 176.6740 51 G 4.3923 9.4151 112.2636 46.0114 0.0000 174.5894 52 L 4.0051 8.8497 120.6612 57.9599 42.2637 178.6678 53 F 4.6875 8.3875 113.5669 56.8995 39.9783 175.2506 54 Q 3.6304 7.6262 118.0746 57.1364 26.5501 174.1204 55 I 4.2357 7.9186 119.0204 61.3132 38.5615 177.2890 56 N 5.6119 9.5630 124.5054 52.0091 39.4173 174.9822 57 N 5.3128 8.8310 117.5126 53.0829 37.8518 175.7958 58 K 4.2341 8.9583 121.0336 58.8043 33.3415 178.3698 59 I 3.8712 7.9183 118.7836 61.5395 39.3150 178.2535 60 W 4.5584 7.8992 120.3617 58.4052 29.7530 173.7498 61 C 5.6680 7.9252 111.1636 53.1756 45.3724 173.4487 62 K 4.3392 8.8690 122.3281 56.6008 33.2066 175.0936 63 D 5.1470 8.4630 124.6111 52.5406 44.2449 174.9066 64 D 4.5530 8.8001 118.8114 55.0934 40.1326 177.2274 65 Q 4.3854 8.1166 114.7981 55.4702 28.8192 175.4188 66 N 4.7314 7.5860 117.4397 52.3910 39.4666 172.1227 67 P 4.3592 0.0000 0.0000 64.3203 31.7638 177.1487 68 H 4.6866 7.7680 113.9886 55.5412 29.1085 175.3257 69 S 4.4870 7.2487 115.5209 58.3557 62.6762 174.5468 70 S 4.0708 8.8632 122.6462 59.5406 63.5000 173.4458 71 N 4.3482 8.1779 118.3753 54.7318 37.2016 174.6735 72 I 3.7982 8.0509 120.6258 64.4958 37.8768 177.4420 73 C 4.5490 8.8740 116.0368 57.0854 40.3192 172.7449 74 N 4.1432 7.9286 117.5760 54.0102 37.5879 173.0818 75 I 4.5586 7.7617 113.9434 58.9948 41.6988 173.5026 76 S 4.5747 8.0609 118.1168 57.8142 63.1995 175.8572 77 C 3.6777 8.3441 123.5526 59.1096 35.3788 176.1058 78 D 4.1810 7.6427 120.5911 55.9757 38.7862 177.9992 79 K 4.1626 7.1669 118.1792 57.7644 32.0670 177.2733 80 F 5.5543 7.6464 118.0198 57.3810 39.1257 176.4917 81 L 5.7043 8.3156 117.9154 53.4836 42.5685 175.9085 82 D 4.9849 7.8586 118.4452 51.0421 41.5773 176.0274 83 D 4.4473 8.6726 119.1448 56.1244 39.2698 176.5862 84 D 4.6203 7.6902 118.3457 53.6457 41.7878 175.7728 85 L 5.0153 8.3109 125.5312 55.0350 42.9376 178.9564 86 T 3.9019 8.5683 118.3196 66.8476 68.5025 176.5048 87 D 4.4587 8.0559 120.2509 56.2277 39.5733 178.0528 88 D 4.0046 8.0905 120.3400 57.2265 40.8343 178.4868 89 I 3.1884 7.3180 120.6687 63.7239 36.8243 178.7523 90 V 3.4076 7.0868 118.9497 64.9264 31.4333 177.3520 91 C 4.2790 7.9037 119.1928 59.2155 44.2060 175.6137 92 V 3.2115 7.1330 119.7675 65.8731 30.7649 178.2043 93 K 4.0153 7.7560 118.1466 59.0922 31.7199 179.5444 94 K 4.0827 7.8414 119.1307 59.3362 31.9669 179.4967 95 I 3.1436 7.1874 119.6568 64.1278 36.7736 178.3031 96 L 4.3229 8.1436 119.7902 57.6924 41.1642 179.3898 97 D 4.4906 7.8100 118.0811 57.2580 41.1139 178.6546 98 K 4.2908 8.2295 117.6452 58.3304 32.2253 178.0608 99 V 4.1848 8.6936 117.2537 62.7376 33.3514 176.0279 100 G 4.0722 8.0980 104.2408 45.3843 0.0000 173.7959 101 I 4.0948 8.2621 117.9794 63.2137 37.9864 176.8571 102 N 4.7027 7.7723 114.9537 54.7458 38.1390 175.3530 103 Y 3.9224 7.9906 120.8064 59.2761 39.4706 175.2528 104 W 4.5309 8.3572 120.8540 55.1169 29.2361 177.0989 105 L 4.1438 8.5256 124.6499 57.4674 41.0586 179.0915 106 A 4.0022 8.1746 120.5471 55.3541 18.2305 178.5195 107 H 3.8350 7.8813 115.6059 59.7958 29.6666 177.4155 108 K 3.9540 8.0225 119.6116 58.9067 32.2496 177.9129 109 A 4.3673 7.5135 118.9495 53.4005 19.0792 177.7906 110 L 4.7196 8.3000 113.2965 54.3735 45.2173 175.9678 111 C 5.0301 7.7867 115.8765 56.8237 40.7241 174.9683 112 S 4.2926 7.9923 114.5273 58.8731 65.5508 175.0016 113 E 4.2563 8.0619 118.1967 56.7055 30.3891 177.3531 114 K 4.0003 8.1170 114.2365 58.4301 28.6237 174.1599 115 L 4.8614 7.7988 122.2721 54.6883 42.7896 178.5619 116 D 4.4242 8.1401 120.4398 57.3328 40.9926 178.1789 117 Q 3.7822 8.1441 118.8611 58.4202 28.8476 176.8342 118 W 4.9376 7.8306 116.1327 56.3976 29.3794 175.5636 119 L 4.5453 7.7047 119.1374 54.1890 42.3082 176.6724 120 C 4.6401 6.6500 120.8684 56.0372 41.1827 173.9133 121 E 3.9805 7.8773 123.0760 56.8607 28.7248 175.0356 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1X M 8.30 4.55 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 1 E 8.55 4.45 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 2 Q 9.40 5.03 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 3 L 8.23 5.12 0.00 1.43 1.43 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.03 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 K 8.91 3.56 0.00 2.08 1.96 0.00 2.10 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.78 2.01 7.81 6 C 8.22 4.34 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.73 3.91 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 8 V 7.64 3.52 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 9 F 8.06 3.72 0.00 3.28 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.94 4.11 0.00 2.08 1.96 0.00 3.22 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 11 E 8.31 3.96 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 12 L 7.78 4.22 0.00 1.75 1.42 0.80 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.02 3.73 0.00 1.90 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 D 7.90 4.49 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.99 4.18 0.00 1.50 1.34 -0.44 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.35 4.03 0.00 1.91 1.88 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.75 1.44 7.81 17 G 9.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.80 4.06 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.56 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.41 3.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.26 0.00 0.00 22 S 8.73 4.89 0.00 4.13 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.27 3.97 0.00 1.64 1.06 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.43 0.00 2.28 2.35 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 25 E 7.78 3.85 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 26 W 7.81 4.19 0.00 3.34 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.06 3.71 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.80 0.00 0.00 28 C 7.59 2.45 0.00 1.49 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.86 3.78 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 30 T 8.01 3.96 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 31 F 7.58 3.38 0.00 2.77 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.58 3.99 0.00 3.13 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.36 4.18 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 34 S 8.29 4.47 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.72 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.76 3.85 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.65 4.97 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.88 4.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 39 Q 8.86 4.65 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 40 A 8.11 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.31 4.82 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.74 0.00 0.00 42 V 8.54 4.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 43 Q 8.80 4.73 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 44 N 8.74 4.68 0.00 2.83 2.90 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.11 4.72 0.00 2.64 2.57 0.00 0.00 6.74 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.85 5.02 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.75 5.06 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.45 5.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 49 E 9.34 5.30 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 50 Y 9.38 5.04 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.42 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.85 4.01 0.00 1.58 1.61 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.39 4.69 0.00 3.05 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.63 3.63 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 55 I 7.92 4.24 1.96 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.19 0.87 0.00 0.00 56 N 9.56 5.61 0.00 3.04 3.26 0.00 0.00 6.46 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.83 5.31 0.00 2.91 3.29 0.00 0.00 6.91 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.96 4.23 0.00 1.91 1.87 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.57 7.81 59 I 7.92 3.87 0.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.56 -0.38 0.00 0.00 60 W 7.90 4.56 0.00 3.65 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.93 5.67 0.00 2.96 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.87 4.34 0.00 1.82 1.65 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.36 7.81 63 D 8.46 5.15 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.80 4.55 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.12 4.39 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.69 0.00 66 N 7.59 4.73 0.00 2.70 2.77 0.00 0.00 7.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.36 0.00 1.84 1.99 0.00 3.50 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 68 H 7.77 4.69 0.00 3.15 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.25 4.49 0.00 4.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.86 4.07 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.18 4.35 0.00 2.78 2.71 0.00 0.00 7.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.05 3.80 1.93 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 1.08 0.00 0.00 73 C 8.87 4.55 0.00 3.36 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.93 4.14 0.00 2.80 2.86 0.00 0.00 6.82 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.76 4.56 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.33 0.99 0.00 0.00 76 S 8.06 4.57 0.00 3.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.34 3.68 0.00 1.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.64 4.18 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.17 4.16 0.00 1.21 1.74 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.43 7.81 80 F 7.65 5.55 0.00 3.29 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.32 5.70 0.00 1.82 1.75 1.16 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.86 4.98 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.67 4.45 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.69 4.62 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.31 5.02 0.00 1.72 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.57 3.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 87 D 8.06 4.46 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.09 4.00 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.32 3.19 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.56 0.00 0.00 90 V 7.09 3.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.86 0.00 0.00 91 C 7.90 4.28 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.13 3.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 -0.41 0.00 0.00 93 K 7.76 4.02 0.00 1.70 1.37 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.65 1.22 7.81 94 K 7.84 4.08 0.00 1.90 1.98 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 95 I 7.19 3.14 1.64 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.06 0.00 0.00 96 L 8.14 4.32 0.00 2.15 1.87 1.39 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.81 4.49 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.23 4.29 0.00 2.16 2.07 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.77 7.81 99 V 8.69 4.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.35 0.00 0.00 100 G 8.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.26 4.09 1.69 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.02 0.74 0.00 0.00 102 N 7.77 4.70 0.00 2.82 2.87 0.00 0.00 6.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.99 3.92 0.00 2.68 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.36 4.53 0.00 3.69 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.53 4.14 0.00 1.68 1.70 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.17 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 7.88 3.83 0.00 3.23 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.02 3.95 0.00 1.82 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 109 A 7.51 4.37 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.30 4.72 0.00 1.55 1.58 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.79 5.03 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.99 4.29 0.00 3.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.06 4.26 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 114 K 8.12 4.00 0.00 1.89 2.07 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.49 7.81 115 L 7.80 4.86 0.00 1.81 1.84 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.14 4.42 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.14 3.78 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.50 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 118 W 7.83 4.94 0.00 3.59 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.70 4.55 0.00 1.77 1.52 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 120 C 6.65 4.64 0.00 1.97 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.88 3.98 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00